CID 115865

Dimethyl diisopropyl pyrophosphate

Structural Information

Molecular Formula
C8H20O7P2
SMILES
CC(C)OP(=O)(OC)OP(=O)(OC)OC(C)C
InChI
InChI=1S/C8H20O7P2/c1-7(2)13-16(9,11-5)15-17(10,12-6)14-8(3)4/h7-8H,1-6H3
InChIKey
XQQHLZPRNJYEBV-UHFFFAOYSA-N
Compound name
[methoxy(propan-2-yloxy)phosphoryl] methyl propan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.06842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07570 164.7
[M+Na]+ 313.05764 170.6
[M-H]- 289.06114 169.3
[M+NH4]+ 308.10224 178.2
[M+K]+ 329.03158 173.8
[M+H-H2O]+ 273.06568 155.6
[M+HCOO]- 335.06662 188.6
[M+CH3COO]- 349.08227 202.2
[M+Na-2H]- 311.04309 165.7
[M]+ 290.06787 170.8
[M]- 290.06897 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe